CHEBI:16150 - benzoate

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ChEBI Name benzoate
ChEBI ID CHEBI:16150
Definition The simplest member of the class of benzoates that is the conjugate base of benzoic acid, comprising a benzoic acid core with a proton missing to give a charge of -1.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:13879, CHEBI:22717
Supplier Information ZINC000328578076
Download Molfile XML SDF
Formula C7H5O2
Net Charge -1
Average Mass 121.11340
Monoisotopic Mass 121.02950
InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
InChIKey WPYMKLBDIGXBTP-UHFFFAOYSA-M
SMILES [O-]C(=O)c1ccccc1
Roles Classification
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing benzoate (CHEBI:16150) has role human xenobiotic metabolite (CHEBI:76967)
benzoate (CHEBI:16150) has role plant metabolite (CHEBI:76924)
benzoate (CHEBI:16150) is a benzoates (CHEBI:22718)
benzoate (CHEBI:16150) is conjugate base of benzoic acid (CHEBI:30746)
Incoming 2,3-dihydroxybenzoate (CHEBI:36654) has functional parent benzoate (CHEBI:16150)
2,3-dimethylbenzoate (CHEBI:64824) has functional parent benzoate (CHEBI:16150)
2,4,6-trimethylbenzoate (CHEBI:64832) has functional parent benzoate (CHEBI:16150)
2,4-dichlorobenzoate (CHEBI:28995) has functional parent benzoate (CHEBI:16150)
2,4-dimethylbenzoate (CHEBI:64812) has functional parent benzoate (CHEBI:16150)
2,5-dimethylbenzoate (CHEBI:64826) has functional parent benzoate (CHEBI:16150)
2,6-dichlorobenzoate (CHEBI:48624) has functional parent benzoate (CHEBI:16150)
2,6-dimethylbenzoate (CHEBI:64828) has functional parent benzoate (CHEBI:16150)
2-diazoniobenzoate (CHEBI:64432) has functional parent benzoate (CHEBI:16150)
2-halobenzoate (CHEBI:70856) has functional parent benzoate (CHEBI:16150)
2-nitrobenzoate (CHEBI:25619) has functional parent benzoate (CHEBI:16150)
3,4-dihydroxybenzoate (CHEBI:36241) has functional parent benzoate (CHEBI:16150)
3,4-dimethylbenzoate (CHEBI:64820) has functional parent benzoate (CHEBI:16150)
3,5-dibromo-4-hydroxybenzoate (CHEBI:27544) has functional parent benzoate (CHEBI:16150)
3,5-dichloro-4-hydroxybenzoate (CHEBI:53686) has functional parent benzoate (CHEBI:16150)
3,5-dimethylbenzoate (CHEBI:64822) has functional parent benzoate (CHEBI:16150)
3-bromo-4-hydroxybenzoate (CHEBI:140203) has functional parent benzoate (CHEBI:16150)
3-chlorobenzoate (CHEBI:19984) has functional parent benzoate (CHEBI:16150)
3-diazoniobenzoate (CHEBI:64438) has functional parent benzoate (CHEBI:16150)
3-ethoxybenzoate (CHEBI:36648) has functional parent benzoate (CHEBI:16150)
3-fluorobenzoate (CHEBI:28665) has functional parent benzoate (CHEBI:16150)
3-hydroxybenzoate (CHEBI:16193) has functional parent benzoate (CHEBI:16150)
4-aminobenzoate (CHEBI:17836) has functional parent benzoate (CHEBI:16150)
4-bromobenzoate (CHEBI:188472) has functional parent benzoate (CHEBI:16150)
4-chlorobenzoate (CHEBI:17861) has functional parent benzoate (CHEBI:16150)
4-diazoniobenzoate (CHEBI:64443) has functional parent benzoate (CHEBI:16150)
4-fluorobenzoate (CHEBI:27893) has functional parent benzoate (CHEBI:16150)
4-hydroxy-3-octaprenylbenzoate (CHEBI:1617) has functional parent benzoate (CHEBI:16150)
4-hydroxybenzoate (CHEBI:17879) has functional parent benzoate (CHEBI:16150)
4-iodobenzoate (CHEBI:188473) has functional parent benzoate (CHEBI:16150)
4-methoxybenzoate (CHEBI:16639) has functional parent benzoate (CHEBI:16150)
4-nitrobenzoate (CHEBI:142863) has functional parent benzoate (CHEBI:16150)
4-sulfonatobenzoate(2−) (CHEBI:20476) has functional parent benzoate (CHEBI:16150)
p-mercuribenzoate (CHEBI:20435) has functional parent benzoate (CHEBI:16150)
cloperastine fendizoate (CHEBI:31419) has functional parent benzoate (CHEBI:16150)
macrophomate (CHEBI:38228) has functional parent benzoate (CHEBI:16150)
sodium benzoate (CHEBI:113455) has part benzoate (CHEBI:16150)
benzoic acid (CHEBI:30746) is conjugate acid of benzoate (CHEBI:16150)
IUPAC Name
benzoate
Synonyms Sources
Benzenecarboxylate HMDB
Benzeneformate HMDB
Benzenemethanoate HMDB
benzoate UniProt
benzoate anion NIST Chemistry WebBook
benzoic acid, ion(1−) ChemIDplus
Phenylcarboxylate HMDB
Phenylformate HMDB
Manual Xrefs Databases
BENZOATE MetaCyc
C00180 KEGG COMPOUND
c0121 UM-BBD
HMDB0001870 HMDB
View more database links
Registry Numbers Types Sources
1862486 Reaxys Registry Number Reaxys
2945 Gmelin Registry Number Gmelin
766-76-7 CAS Registry Number NIST Chemistry WebBook
766-76-7 CAS Registry Number ChemIDplus
Last Modified
12 April 2016